| SpectraBase Spectrum ID |
CrN9zqinx3R |
| Name |
5-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]decan-4-yl}-2-(piperidin-1-yl)benzoic acid |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
523.994633192 u |
| Formula |
C21H22Br2N2O4 |
| InChI |
InChI=1S/C21H22Br2N2O4/c22-17-12-9-13(18(17)23)16-15(12)19(26)25(20(16)27)10-4-5-14(11(8-10)21(28)29)24-6-2-1-3-7-24/h4-5,8,12-13,15-18H,1-3,6-7,9H2,(H,28,29) |
| InChIKey |
PQFQPKDYOWJUTJ-UHFFFAOYSA-N |
| Molecular Weight |
526.225 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9621 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10240680; Lab Info: KWN; Lab Number: KWN-JW00243 |
| Temperature |
29.85 °C |
![5-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]decan-4-yl}-2-(piperidin-1-yl)benzoic acid](/api/spectrum/CrN9zqinx3R/structure.png?h=300&w=458 "5-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]decan-4-yl}-2-(piperidin-1-yl)benzoic acid")
